SCHEMBL10348155

SCHEMBL10348155

CCN(CC)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S100B P04271 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
RAB9A P51151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.35
ALDH1A3 P47895 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
CRHR1 P34998 1/20 0.34
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30935004 0.85 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2S100BTDP1
SCHEMBL10111222 0.83 CRHR1 (0.41) ALDH1A1TDP1ALDH1A3CRHR1
SCHEMBL9258889 0.82 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2S100BTDP1
SCHEMBL10111220 0.80 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2TDP1RAB9A
SCHEMBL516289 0.80 S100B (0.57) ALDH1A1MAPTSMN1; SMN2S100BTDP1
Lithium Ion SCHEMBL19732788 0.80 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2S100BTDP1
SCHEMBL20201656 0.78 AKR1B1 (0.44) ALDH1A1MAPTSMN1; SMN2S100BTDP1
SCHEMBL15263534 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2S100BTDP1
SCHEMBL10604958 0.78 HCRTR1 (0.38) ALDH1A1MAPTSMN1; SMN2S100BRAB9A
SCHEMBL11316146 0.78 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2S100BTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172611-B1 EPOXY RESIN CURING AGENT, COMPOSITIONS CONTAINING IT; COATED ABRASIVES MADE THEREWITH AND PROCESS FOR MAKING COATED ABRASIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-11 EP claimed
US-7879519-B2 electrostatic latent imaging; photoconductors; charge generating layer comprises titanyl phthalocyanine pigment RICOH COMPANY LIMITED (JP) 2011-02-01 US disclosed
US-7879519-B2 electrostatic latent imaging; photoconductors; charge generating layer comprises titanyl phthalocyanine pigment RICOH COMPANY LIMITED (JP) 2011-02-01 US disclosed
US-4094698-A OXIDIZING CLAY FOR PRESSURE SENSITIVE MATERIALS YARA ENGINEERING CORPORATION (US) 1978-06-13 US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed